PubChemLite - 1-(2-methoxy-13-methyl-6z-tetradecenyl)-sn-glycero-3-phosphoserine (C22H44NO9P)

Structural Information

Molecular Formula

SMILES

CC(C)CCCCC/C=C\CCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC

InChI

InChI=1S/C22H44NO9P/c1-18(2)12-10-8-6-4-5-7-9-11-13-20(29-3)16-30-14-19(24)15-31-33(27,28)32-17-21(23)22(25)26/h5,7,18-21,24H,4,6,8-17,23H2,1-3H3,(H,25,26)(H,27,28)/b7-5-/t19-,20?,21+/m1/s1

InChIKey

AXWYGPDPRXFRHF-NWJJIWMLSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-2-methoxy-13-methyltetradec-6-enoxy]propoxy]phosphoryl]oxypropanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	498.28264	217.6
[M+Na]+	520.26458	221.2
[M-H]-	496.26808	216.9
[M+NH4]+	515.30918	221.3
[M+K]+	536.23852	217.1
[M+H-H2O]+	480.27262	208.3
[M+HCOO]-	542.27356	215.5
[M+CH3COO]-	556.28921	238.5
[M+Na-2H]-	518.25003	202.9
[M]+	497.27481	212.0
[M]-	497.27591	212.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.28264

217.6

[M+Na]+

520.26458

221.2

[M-H]-

496.26808

216.9

[M+NH4]+

515.30918

221.3

[M+K]+

536.23852

217.1

[M+H-H2O]+

480.27262

208.3

[M+HCOO]-

542.27356

215.5

[M+CH3COO]-

556.28921

238.5

[M+Na-2H]-

518.25003

202.9

[M]+

497.27481

212.0

[M]-

497.27591

212.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-(2-methoxy-13-methyl-6z-tetradecenyl)-sn-glycero-3-phosphoserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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